USER MOD reduce.3.24.130724 H: found=0, std=0, add=201, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 201 hydrogens (110 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 10 CPNH1'3 : B 10 CPN N1' : B 10 CPN C2' :...(NH2R) USER MOD NoAdj-H: B 10 CPNH1'2 : B 10 CPN N1' : B 10 CPN C2' :...(NH2R) USER MOD NoAdj-H: B 11 TPNH1'2 : B 11 TPN N1' : B 10 CPN C' :...(NH2R) USER MOD NoAdj-H: B 11 TPNH1'1 : B 11 TPN N1' : B 10 CPN C' :...(NH2R) USER MOD NoAdj-H: B 12 APNH1'3 : B 12 APN N1' : B 12 APN C2' :...(NH2R) USER MOD NoAdj-H: B 12 APNH1'1 : B 12 APN N1' : B 12 APN C2' :...(NH2R) USER MOD NoAdj-H: B 13 TPNH1'2 : B 13 TPN N1' : B 12 APN C' :...(NH2R) USER MOD NoAdj-H: B 13 TPNH1'1 : B 13 TPN N1' : B 12 APN C' :...(NH2R) USER MOD NoAdj-H: B 14 GPNH1'3 : B 14 GPN N1' : B 13 TPN C' :...(NH2R) USER MOD NoAdj-H: B 14 GPNH1'2 : B 14 GPN N1' : B 13 TPN C' :...(NH2R) USER MOD NoAdj-H: B 15 TPNH1'2 : B 15 TPN N1' : B 15 TPN C2' :...(NH2R) USER MOD NoAdj-H: B 16 CPNH1'3 : B 16 CPN N1' : B 16 CPN C2' :...(NH2R) USER MOD NoAdj-H: B 16 CPNH1'2 : B 16 CPN N1' : B 16 CPN C2' :...(NH2R) USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 5 DT C7 :methyl 150:sc= -0.578 (180deg=-0.578) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 9 GPN N1' :NH3+ -168:sc= -0.097 (180deg=-0.321) USER MOD Single : B 10 CPN N1' :NH3+ 180:sc= -0.246 (180deg=-0.246) USER MOD Single : B 11 TPN N1' :NH3+ 180:sc=-0.000406 (180deg=-0.000406) USER MOD Single : B 12 APN N1' :NH3+ 180:sc= -1.37 (180deg=-1.37) USER MOD Single : B 13 TPN N1' :NH3+ 180:sc= -0.0366 (180deg=-0.0366) USER MOD Single : B 14 GPN N1' :NH3+ 180:sc= -0.83 (180deg=-0.83) USER MOD Single : B 15 TPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 CPN N1' :NH3+ 180:sc= -1.65 (180deg=-1.65) USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -13.478 -12.179 -2.495 1.00 0.88 O ATOM 2 C5' DG A 1 -12.290 -12.915 -2.807 1.00 0.77 C ATOM 3 C4' DG A 1 -11.317 -12.930 -1.630 1.00 0.67 C ATOM 4 O4' DG A 1 -10.129 -13.693 -1.957 1.00 0.63 O ATOM 5 C3' DG A 1 -10.882 -11.512 -1.264 1.00 0.62 C ATOM 6 O3' DG A 1 -11.136 -11.246 0.124 1.00 0.62 O ATOM 7 C2' DG A 1 -9.405 -11.464 -1.577 1.00 0.55 C ATOM 8 C1' DG A 1 -8.953 -12.905 -1.687 1.00 0.56 C ATOM 9 N9 DG A 1 -7.941 -13.060 -2.750 1.00 0.56 N ATOM 10 C8 DG A 1 -8.105 -13.074 -4.105 1.00 0.62 C ATOM 11 N7 DG A 1 -7.003 -13.090 -4.796 1.00 0.60 N ATOM 12 C5 DG A 1 -6.014 -13.097 -3.813 1.00 0.53 C ATOM 13 C6 DG A 1 -4.599 -13.116 -3.940 1.00 0.51 C ATOM 14 O6 DG A 1 -3.921 -13.113 -4.964 1.00 0.61 O ATOM 15 N1 DG A 1 -3.977 -13.115 -2.701 1.00 0.45 N ATOM 16 C2 DG A 1 -4.632 -13.103 -1.488 1.00 0.42 C ATOM 17 N2 DG A 1 -3.870 -13.063 -0.403 1.00 0.41 N ATOM 18 N3 DG A 1 -5.957 -13.090 -1.363 1.00 0.45 N ATOM 19 C4 DG A 1 -6.583 -13.084 -2.560 1.00 0.49 C ATOM 0 H5' DG A 1 -11.804 -12.473 -3.677 1.00 0.77 H new ATOM 0 H5'' DG A 1 -12.554 -13.938 -3.075 1.00 0.77 H new ATOM 0 H4' DG A 1 -11.837 -13.388 -0.788 1.00 0.67 H new ATOM 0 H3' DG A 1 -11.433 -10.753 -1.819 1.00 0.62 H new ATOM 0 H2' DG A 1 -9.221 -10.926 -2.507 1.00 0.55 H new ATOM 0 H2'' DG A 1 -8.857 -10.942 -0.792 1.00 0.55 H new ATOM 0 HO5' DG A 1 -14.080 -12.186 -3.268 1.00 0.88 H new ATOM 0 H1' DG A 1 -8.479 -13.237 -0.763 1.00 0.56 H new ATOM 0 H8 DG A 1 -9.080 -13.072 -4.570 1.00 0.62 H new ATOM 0 H1 DG A 1 -2.957 -13.124 -2.686 1.00 0.45 H new ATOM 0 H21 DG A 1 -4.300 -13.052 0.522 1.00 0.41 H new ATOM 0 H22 DG A 1 -2.854 -13.043 -0.494 1.00 0.41 H new ATOM 32 P DA A 2 -10.518 -9.945 0.851 1.00 0.60 P ATOM 33 OP1 DA A 2 -11.177 -9.794 2.167 1.00 0.69 O ATOM 34 OP2 DA A 2 -10.531 -8.822 -0.113 1.00 0.66 O ATOM 35 O5' DA A 2 -8.985 -10.378 1.100 1.00 0.49 O ATOM 36 C5' DA A 2 -8.642 -11.274 2.167 1.00 0.47 C ATOM 37 C4' DA A 2 -7.201 -11.074 2.634 1.00 0.39 C ATOM 38 O4' DA A 2 -6.263 -11.468 1.610 1.00 0.37 O ATOM 39 C3' DA A 2 -6.939 -9.611 2.972 1.00 0.39 C ATOM 40 O3' DA A 2 -6.678 -9.442 4.371 1.00 0.42 O ATOM 41 C2' DA A 2 -5.748 -9.206 2.139 1.00 0.37 C ATOM 42 C1' DA A 2 -5.237 -10.468 1.481 1.00 0.34 C ATOM 43 N9 DA A 2 -4.904 -10.233 0.066 1.00 0.35 N ATOM 44 C8 DA A 2 -5.736 -10.133 -1.012 1.00 0.42 C ATOM 45 N7 DA A 2 -5.136 -9.994 -2.157 1.00 0.44 N ATOM 46 C5 DA A 2 -3.787 -9.998 -1.806 1.00 0.38 C ATOM 47 C6 DA A 2 -2.613 -9.891 -2.555 1.00 0.41 C ATOM 48 N6 DA A 2 -2.601 -9.795 -3.884 1.00 0.49 N ATOM 49 N1 DA A 2 -1.449 -9.930 -1.888 1.00 0.40 N ATOM 50 C2 DA A 2 -1.434 -10.074 -0.564 1.00 0.37 C ATOM 51 N3 DA A 2 -2.485 -10.187 0.238 1.00 0.34 N ATOM 52 C4 DA A 2 -3.639 -10.141 -0.457 1.00 0.33 C ATOM 0 H5' DA A 2 -8.777 -12.303 1.835 1.00 0.47 H new ATOM 0 H5'' DA A 2 -9.321 -11.118 3.005 1.00 0.47 H new ATOM 0 H4' DA A 2 -7.065 -11.695 3.520 1.00 0.39 H new ATOM 0 H3' DA A 2 -7.807 -8.989 2.752 1.00 0.39 H new ATOM 0 H2' DA A 2 -6.031 -8.466 1.391 1.00 0.37 H new ATOM 0 H2'' DA A 2 -4.976 -8.752 2.760 1.00 0.37 H new ATOM 0 H1' DA A 2 -4.319 -10.801 1.966 1.00 0.34 H new ATOM 0 H8 DA A 2 -6.812 -10.167 -0.920 1.00 0.42 H new ATOM 0 H61 DA A 2 -1.714 -9.719 -4.382 1.00 0.49 H new ATOM 0 H62 DA A 2 -3.479 -9.797 -4.403 1.00 0.49 H new ATOM 0 H2 DA A 2 -0.463 -10.102 -0.093 1.00 0.37 H new ATOM 64 P DC A 3 -6.296 -7.997 4.977 1.00 0.44 P ATOM 65 OP1 DC A 3 -6.353 -8.085 6.454 1.00 0.54 O ATOM 66 OP2 DC A 3 -7.094 -6.970 4.268 1.00 0.57 O ATOM 67 O5' DC A 3 -4.750 -7.828 4.536 1.00 0.34 O ATOM 68 C5' DC A 3 -3.705 -8.491 5.260 1.00 0.32 C ATOM 69 C4' DC A 3 -2.325 -7.916 4.939 1.00 0.31 C ATOM 70 O4' DC A 3 -1.934 -8.207 3.580 1.00 0.33 O ATOM 71 C3' DC A 3 -2.304 -6.402 5.118 1.00 0.31 C ATOM 72 O3' DC A 3 -1.510 -6.034 6.255 1.00 0.37 O ATOM 73 C2' DC A 3 -1.719 -5.854 3.836 1.00 0.31 C ATOM 74 C1' DC A 3 -1.297 -7.053 3.006 1.00 0.30 C ATOM 75 N1 DC A 3 -1.666 -6.903 1.584 1.00 0.29 N ATOM 76 C2 DC A 3 -0.636 -6.710 0.675 1.00 0.36 C ATOM 77 O2 DC A 3 0.520 -6.582 1.066 1.00 0.49 O ATOM 78 N3 DC A 3 -0.949 -6.603 -0.641 1.00 0.36 N ATOM 79 C4 DC A 3 -2.217 -6.659 -1.053 1.00 0.34 C ATOM 80 N4 DC A 3 -2.471 -6.653 -2.361 1.00 0.41 N ATOM 81 C5 DC A 3 -3.288 -6.825 -0.118 1.00 0.34 C ATOM 82 C6 DC A 3 -2.969 -6.957 1.184 1.00 0.30 C ATOM 0 H5' DC A 3 -3.718 -9.554 5.021 1.00 0.32 H new ATOM 0 H5'' DC A 3 -3.894 -8.402 6.330 1.00 0.32 H new ATOM 0 H4' DC A 3 -1.627 -8.385 5.632 1.00 0.31 H new ATOM 0 H3' DC A 3 -3.300 -6.000 5.304 1.00 0.31 H new ATOM 0 H2' DC A 3 -2.453 -5.251 3.301 1.00 0.31 H new ATOM 0 H2'' DC A 3 -0.867 -5.207 4.044 1.00 0.31 H new ATOM 0 H1' DC A 3 -0.212 -7.152 3.025 1.00 0.30 H new ATOM 0 H41 DC A 3 -3.434 -6.695 -2.694 1.00 0.41 H new ATOM 0 H42 DC A 3 -1.702 -6.606 -3.030 1.00 0.41 H new ATOM 0 H5 DC A 3 -4.317 -6.844 -0.445 1.00 0.34 H new ATOM 0 H6 DC A 3 -3.749 -7.106 1.915 1.00 0.30 H new ATOM 94 P DA A 4 -1.066 -4.503 6.498 1.00 0.43 P ATOM 95 OP1 DA A 4 -0.421 -4.414 7.827 1.00 0.53 O ATOM 96 OP2 DA A 4 -2.215 -3.626 6.177 1.00 0.48 O ATOM 97 O5' DA A 4 0.067 -4.283 5.371 1.00 0.39 O ATOM 98 C5' DA A 4 1.388 -4.812 5.548 1.00 0.37 C ATOM 99 C4' DA A 4 2.393 -4.157 4.602 1.00 0.32 C ATOM 100 O4' DA A 4 2.127 -4.517 3.223 1.00 0.32 O ATOM 101 C3' DA A 4 2.332 -2.635 4.713 1.00 0.32 C ATOM 102 O3' DA A 4 3.581 -2.099 5.173 1.00 0.35 O ATOM 103 C2' DA A 4 1.997 -2.153 3.322 1.00 0.31 C ATOM 104 C1' DA A 4 2.197 -3.336 2.402 1.00 0.28 C ATOM 105 N9 DA A 4 1.170 -3.335 1.351 1.00 0.31 N ATOM 106 C8 DA A 4 -0.177 -3.435 1.484 1.00 0.36 C ATOM 107 N7 DA A 4 -0.855 -3.298 0.383 1.00 0.38 N ATOM 108 C5 DA A 4 0.139 -3.062 -0.565 1.00 0.34 C ATOM 109 C6 DA A 4 0.101 -2.813 -1.942 1.00 0.36 C ATOM 110 N6 DA A 4 -1.029 -2.700 -2.637 1.00 0.43 N ATOM 111 N1 DA A 4 1.276 -2.624 -2.565 1.00 0.33 N ATOM 112 C2 DA A 4 2.418 -2.672 -1.880 1.00 0.29 C ATOM 113 N3 DA A 4 2.564 -2.898 -0.582 1.00 0.29 N ATOM 114 C4 DA A 4 1.374 -3.085 0.019 1.00 0.30 C ATOM 0 H5' DA A 4 1.375 -5.888 5.376 1.00 0.37 H new ATOM 0 H5'' DA A 4 1.706 -4.658 6.579 1.00 0.37 H new ATOM 0 H4' DA A 4 3.381 -4.515 4.893 1.00 0.32 H new ATOM 0 H3' DA A 4 1.589 -2.307 5.440 1.00 0.32 H new ATOM 0 H2' DA A 4 0.970 -1.792 3.273 1.00 0.31 H new ATOM 0 H2'' DA A 4 2.641 -1.323 3.033 1.00 0.31 H new ATOM 0 H1' DA A 4 3.161 -3.295 1.894 1.00 0.28 H new ATOM 0 H8 DA A 4 -0.652 -3.616 2.437 1.00 0.36 H new ATOM 0 H61 DA A 4 -0.995 -2.518 -3.640 1.00 0.43 H new ATOM 0 H62 DA A 4 -1.929 -2.796 -2.166 1.00 0.43 H new ATOM 0 H2 DA A 4 3.324 -2.509 -2.444 1.00 0.29 H new ATOM 126 P DT A 5 3.904 -0.521 5.070 1.00 0.38 P ATOM 127 OP1 DT A 5 5.070 -0.227 5.934 1.00 0.47 O ATOM 128 OP2 DT A 5 2.640 0.226 5.255 1.00 0.44 O ATOM 129 O5' DT A 5 4.361 -0.366 3.530 1.00 0.34 O ATOM 130 C5' DT A 5 5.417 -1.177 3.005 1.00 0.31 C ATOM 131 C4' DT A 5 5.963 -0.633 1.687 1.00 0.27 C ATOM 132 O4' DT A 5 5.073 -0.932 0.588 1.00 0.29 O ATOM 133 C3' DT A 5 6.146 0.882 1.746 1.00 0.25 C ATOM 134 O3' DT A 5 7.529 1.234 1.551 1.00 0.26 O ATOM 135 C2' DT A 5 5.279 1.416 0.634 1.00 0.26 C ATOM 136 C1' DT A 5 4.983 0.226 -0.253 1.00 0.26 C ATOM 137 N1 DT A 5 3.664 0.338 -0.894 1.00 0.29 N ATOM 138 C2 DT A 5 3.642 0.667 -2.237 1.00 0.31 C ATOM 139 O2 DT A 5 4.666 0.896 -2.873 1.00 0.37 O ATOM 140 N3 DT A 5 2.399 0.769 -2.816 1.00 0.34 N ATOM 141 C4 DT A 5 1.190 0.579 -2.182 1.00 0.37 C ATOM 142 O4 DT A 5 0.139 0.654 -2.814 1.00 0.45 O ATOM 143 C5 DT A 5 1.310 0.253 -0.775 1.00 0.35 C ATOM 144 C7 DT A 5 0.060 0.120 0.080 1.00 0.40 C ATOM 145 C6 DT A 5 2.514 0.136 -0.188 1.00 0.31 C ATOM 0 H5' DT A 5 5.051 -2.193 2.853 1.00 0.31 H new ATOM 0 H5'' DT A 5 6.225 -1.235 3.734 1.00 0.31 H new ATOM 0 H4' DT A 5 6.926 -1.117 1.527 1.00 0.27 H new ATOM 0 H3' DT A 5 5.865 1.299 2.713 1.00 0.25 H new ATOM 0 H2' DT A 5 4.360 1.851 1.027 1.00 0.26 H new ATOM 0 H2'' DT A 5 5.792 2.202 0.079 1.00 0.26 H new ATOM 0 H1' DT A 5 5.696 0.165 -1.075 1.00 0.26 H new ATOM 0 H3 DT A 5 2.369 1.008 -3.807 1.00 0.34 H new ATOM 0 H71 DT A 5 0.241 -0.598 0.880 1.00 0.40 H new ATOM 0 H72 DT A 5 -0.190 1.089 0.512 1.00 0.40 H new ATOM 0 H73 DT A 5 -0.768 -0.226 -0.538 1.00 0.40 H new ATOM 0 H6 DT A 5 2.572 -0.122 0.859 1.00 0.31 H new ATOM 158 P DA A 6 8.021 2.773 1.513 1.00 0.26 P ATOM 159 OP1 DA A 6 8.970 2.979 2.631 1.00 0.31 O ATOM 160 OP2 DA A 6 6.832 3.646 1.393 1.00 0.30 O ATOM 161 O5' DA A 6 8.855 2.850 0.129 1.00 0.30 O ATOM 162 C5' DA A 6 8.204 2.688 -1.144 1.00 0.32 C ATOM 163 C4' DA A 6 8.065 4.014 -1.893 1.00 0.32 C ATOM 164 O4' DA A 6 7.132 3.880 -2.989 1.00 0.36 O ATOM 165 C3' DA A 6 7.553 5.122 -0.981 1.00 0.27 C ATOM 166 O3' DA A 6 8.612 6.019 -0.623 1.00 0.29 O ATOM 167 C2' DA A 6 6.466 5.820 -1.758 1.00 0.27 C ATOM 168 C1' DA A 6 6.237 5.011 -3.020 1.00 0.31 C ATOM 169 N9 DA A 6 4.828 4.578 -3.103 1.00 0.34 N ATOM 170 C8 DA A 6 4.120 3.790 -2.243 1.00 0.37 C ATOM 171 N7 DA A 6 2.847 3.707 -2.491 1.00 0.40 N ATOM 172 C5 DA A 6 2.695 4.503 -3.623 1.00 0.37 C ATOM 173 C6 DA A 6 1.585 4.842 -4.404 1.00 0.41 C ATOM 174 N6 DA A 6 0.350 4.425 -4.138 1.00 0.47 N ATOM 175 N1 DA A 6 1.791 5.649 -5.455 1.00 0.41 N ATOM 176 C2 DA A 6 3.013 6.101 -5.727 1.00 0.39 C ATOM 177 N3 DA A 6 4.131 5.846 -5.056 1.00 0.36 N ATOM 178 C4 DA A 6 3.896 5.033 -4.006 1.00 0.34 C ATOM 0 H5' DA A 6 7.216 2.253 -0.993 1.00 0.32 H new ATOM 0 H5'' DA A 6 8.772 1.986 -1.754 1.00 0.32 H new ATOM 0 H4' DA A 6 9.058 4.273 -2.261 1.00 0.32 H new ATOM 0 H3' DA A 6 7.168 4.728 -0.040 1.00 0.27 H new ATOM 0 H2' DA A 6 5.551 5.884 -1.169 1.00 0.27 H new ATOM 0 H2'' DA A 6 6.760 6.841 -2.002 1.00 0.27 H new ATOM 0 H1' DA A 6 6.440 5.614 -3.905 1.00 0.31 H new ATOM 0 H8 DA A 6 4.584 3.273 -1.416 1.00 0.37 H new ATOM 0 H61 DA A 6 -0.423 4.703 -4.742 1.00 0.47 H new ATOM 0 H62 DA A 6 0.177 3.827 -3.330 1.00 0.47 H new ATOM 0 H2 DA A 6 3.106 6.746 -6.588 1.00 0.39 H new ATOM 190 P DG A 7 8.302 7.461 0.034 1.00 0.28 P ATOM 191 OP1 DG A 7 9.581 8.041 0.503 1.00 0.36 O ATOM 192 OP2 DG A 7 7.169 7.312 0.975 1.00 0.31 O ATOM 193 O5' DG A 7 7.794 8.318 -1.236 1.00 0.28 O ATOM 194 C5' DG A 7 8.697 8.653 -2.297 1.00 0.33 C ATOM 195 C4' DG A 7 8.017 9.462 -3.402 1.00 0.35 C ATOM 196 O4' DG A 7 7.007 8.686 -4.082 1.00 0.33 O ATOM 197 C3' DG A 7 7.331 10.697 -2.835 1.00 0.38 C ATOM 198 O3' DG A 7 8.138 11.878 -2.981 1.00 0.52 O ATOM 199 C2' DG A 7 6.041 10.820 -3.603 1.00 0.35 C ATOM 200 C1' DG A 7 5.879 9.536 -4.389 1.00 0.30 C ATOM 201 N9 DG A 7 4.611 8.915 -4.007 1.00 0.23 N ATOM 202 C8 DG A 7 4.281 8.325 -2.826 1.00 0.25 C ATOM 203 N7 DG A 7 3.017 8.051 -2.680 1.00 0.31 N ATOM 204 C5 DG A 7 2.454 8.522 -3.867 1.00 0.26 C ATOM 205 C6 DG A 7 1.101 8.526 -4.301 1.00 0.31 C ATOM 206 O6 DG A 7 0.105 8.110 -3.715 1.00 0.42 O ATOM 207 N1 DG A 7 0.973 9.105 -5.556 1.00 0.26 N ATOM 208 C2 DG A 7 2.015 9.605 -6.305 1.00 0.27 C ATOM 209 N2 DG A 7 1.697 10.171 -7.462 1.00 0.34 N ATOM 210 N3 DG A 7 3.283 9.595 -5.907 1.00 0.28 N ATOM 211 C4 DG A 7 3.429 9.045 -4.682 1.00 0.22 C ATOM 0 H5' DG A 7 9.111 7.738 -2.721 1.00 0.33 H new ATOM 0 H5'' DG A 7 9.533 9.224 -1.893 1.00 0.33 H new ATOM 0 H4' DG A 7 8.805 9.747 -4.099 1.00 0.35 H new ATOM 0 H3' DG A 7 7.162 10.597 -1.763 1.00 0.38 H new ATOM 0 H2' DG A 7 5.200 10.968 -2.926 1.00 0.35 H new ATOM 0 H2'' DG A 7 6.068 11.681 -4.270 1.00 0.35 H new ATOM 0 H1' DG A 7 5.857 9.714 -5.464 1.00 0.30 H new ATOM 0 H8 DG A 7 5.014 8.101 -2.066 1.00 0.25 H new ATOM 0 H1 DG A 7 0.036 9.165 -5.954 1.00 0.26 H new ATOM 0 H21 DG A 7 2.428 10.559 -8.058 1.00 0.34 H new ATOM 0 H22 DG A 7 0.721 10.219 -7.755 1.00 0.34 H new ATOM 223 P DC A 8 8.508 12.478 -4.439 1.00 0.64 P ATOM 224 OP1 DC A 8 9.021 11.374 -5.281 1.00 0.66 O ATOM 225 OP2 DC A 8 9.328 13.693 -4.240 1.00 0.84 O ATOM 226 O5' DC A 8 7.073 12.935 -5.029 1.00 0.62 O ATOM 227 C5' DC A 8 6.944 13.293 -6.413 1.00 0.71 C ATOM 228 C4' DC A 8 5.607 13.972 -6.716 1.00 0.73 C ATOM 229 O4' DC A 8 4.499 13.078 -6.499 1.00 0.58 O ATOM 230 C3' DC A 8 5.395 15.193 -5.833 1.00 0.83 C ATOM 231 O3' DC A 8 5.691 16.403 -6.537 1.00 1.03 O ATOM 232 C2' DC A 8 3.947 15.137 -5.412 1.00 0.79 C ATOM 233 C1' DC A 8 3.404 13.798 -5.902 1.00 0.61 C ATOM 234 N1 DC A 8 2.813 13.013 -4.797 1.00 0.51 N ATOM 235 C2 DC A 8 1.508 12.565 -4.950 1.00 0.46 C ATOM 236 O2 DC A 8 0.849 12.889 -5.936 1.00 0.49 O ATOM 237 N3 DC A 8 0.957 11.832 -3.947 1.00 0.45 N ATOM 238 C4 DC A 8 1.645 11.564 -2.833 1.00 0.49 C ATOM 239 N4 DC A 8 1.100 10.776 -1.909 1.00 0.57 N ATOM 240 C5 DC A 8 2.977 12.047 -2.658 1.00 0.53 C ATOM 241 C6 DC A 8 3.527 12.751 -3.664 1.00 0.54 C ATOM 0 H5' DC A 8 7.042 12.398 -7.028 1.00 0.71 H new ATOM 0 H5'' DC A 8 7.759 13.961 -6.690 1.00 0.71 H new ATOM 0 H4' DC A 8 5.646 14.268 -7.764 1.00 0.73 H new ATOM 0 H3' DC A 8 6.062 15.186 -4.971 1.00 0.83 H new ATOM 0 H2' DC A 8 3.855 15.220 -4.329 1.00 0.79 H new ATOM 0 H2'' DC A 8 3.385 15.965 -5.844 1.00 0.79 H new ATOM 0 HO3' DC A 8 5.544 17.170 -5.945 1.00 1.03 H new ATOM 0 H1' DC A 8 2.609 13.968 -6.628 1.00 0.61 H new ATOM 0 H41 DC A 8 1.613 10.563 -1.054 1.00 0.57 H new ATOM 0 H42 DC A 8 0.169 10.386 -2.056 1.00 0.57 H new ATOM 0 H5 DC A 8 3.525 11.854 -1.748 1.00 0.53 H new ATOM 0 H6 DC A 8 4.541 13.111 -3.574 1.00 0.54 H new TER 254 DC A 8 HETATM 255 C8' GPN B 9 -6.854 12.947 -3.775 1.00 0.89 C HETATM 256 C7' GPN B 9 -7.560 12.500 -5.057 1.00 0.84 C HETATM 257 O7' GPN B 9 -7.151 11.531 -5.668 1.00 0.80 O HETATM 258 C5' GPN B 9 -9.255 12.767 -6.796 1.00 0.87 C HETATM 259 C' GPN B 9 -8.368 12.658 -8.038 1.00 0.71 C HETATM 260 O1' GPN B 9 -8.723 12.017 -9.008 1.00 0.74 O HETATM 261 N4' GPN B 9 -8.604 13.172 -5.510 1.00 0.90 N HETATM 262 C3' GPN B 9 -9.146 14.342 -4.748 1.00 1.07 C HETATM 263 C2' GPN B 9 -10.056 13.849 -3.622 1.00 1.25 C HETATM 264 N1' GPN B 9 -10.307 12.568 -3.568 1.00 1.31 N HETATM 265 N9 GPN B 9 -5.782 12.090 -3.227 1.00 0.85 N HETATM 266 C8 GPN B 9 -5.818 11.223 -2.171 1.00 0.92 C HETATM 267 N7 GPN B 9 -4.678 10.685 -1.859 1.00 0.84 N HETATM 268 C5 GPN B 9 -3.801 11.227 -2.798 1.00 0.70 C HETATM 269 C6 GPN B 9 -2.409 11.014 -2.971 1.00 0.60 C HETATM 270 O6 GPN B 9 -1.662 10.290 -2.321 1.00 0.61 O HETATM 271 N1 GPN B 9 -1.907 11.752 -4.030 1.00 0.55 N HETATM 272 C2 GPN B 9 -2.648 12.585 -4.836 1.00 0.57 C HETATM 273 N2 GPN B 9 -1.996 13.173 -5.832 1.00 0.59 N HETATM 274 N3 GPN B 9 -3.958 12.792 -4.681 1.00 0.65 N HETATM 275 C4 GPN B 9 -4.468 12.083 -3.644 1.00 0.71 C HETATM 0 HN22 GPN B 9 -2.491 13.802 -6.464 1.00 0.59 H new HETATM 0 HN21 GPN B 9 -1.000 12.996 -5.965 1.00 0.59 H new HETATM 0 H8'2 GPN B 9 -6.429 13.934 -3.957 1.00 0.89 H new HETATM 0 H8'1 GPN B 9 -7.613 13.064 -3.002 1.00 0.89 H new HETATM 0 H5'2 GPN B 9 -10.047 13.484 -7.011 1.00 0.87 H new HETATM 0 H5'1 GPN B 9 -9.734 11.800 -6.640 1.00 0.87 H new HETATM 0 H3'2 GPN B 9 -8.326 14.930 -4.335 1.00 1.07 H new HETATM 0 H3'1 GPN B 9 -9.703 14.998 -5.418 1.00 1.07 H new HETATM 0 H2'2 GPN B 9 -9.608 14.145 -2.673 1.00 1.25 H new HETATM 0 H2'1 GPN B 9 -11.007 14.375 -3.703 1.00 1.25 H new HETATM 0 H1'3 GPN B 9 -11.069 12.398 -2.911 1.00 1.31 H new HETATM 0 H1'2 GPN B 9 -10.576 12.234 -4.494 1.00 1.31 H new HETATM 0 H1'1 GPN B 9 -9.473 12.070 -3.257 1.00 1.31 H new HETATM 0 HN1 GPN B 9 -0.910 11.672 -4.228 1.00 0.55 H new HETATM 0 H8 GPN B 9 -6.737 10.999 -1.630 1.00 0.92 H new HETATM 290 C8' CPN B 10 -3.404 11.690 -8.595 1.00 0.31 C HETATM 291 C7' CPN B 10 -3.686 11.552 -10.091 1.00 0.30 C HETATM 292 O7' CPN B 10 -2.756 11.413 -10.858 1.00 0.39 O HETATM 293 C5' CPN B 10 -5.164 11.602 -12.042 1.00 0.35 C HETATM 294 C' CPN B 10 -4.518 10.504 -12.886 1.00 0.42 C HETATM 295 O1' CPN B 10 -4.196 10.723 -14.038 1.00 0.51 O HETATM 296 N4' CPN B 10 -4.922 11.635 -10.562 1.00 0.30 N HETATM 297 C3' CPN B 10 -6.102 11.763 -9.644 1.00 0.37 C HETATM 298 C2' CPN B 10 -6.247 13.209 -9.154 1.00 0.44 C HETATM 299 N1' CPN B 10 -7.213 13.283 -8.009 1.00 0.59 N HETATM 300 N1 CPN B 10 -3.283 10.522 -7.713 1.00 0.31 N HETATM 301 C2 CPN B 10 -1.978 10.118 -7.355 1.00 0.30 C HETATM 302 N3 CPN B 10 -1.813 9.399 -6.205 1.00 0.34 N HETATM 303 C4 CPN B 10 -2.864 9.099 -5.440 1.00 0.41 C HETATM 304 C5 CPN B 10 -4.187 9.493 -5.817 1.00 0.45 C HETATM 305 C6 CPN B 10 -4.350 10.150 -6.965 1.00 0.38 C HETATM 306 O2 CPN B 10 -1.001 10.442 -8.046 1.00 0.36 O HETATM 307 N4 CPN B 10 -2.678 8.366 -4.345 1.00 0.51 N HETATM 0 HN42 CPN B 10 -3.471 8.128 -3.750 1.00 0.51 H new HETATM 0 HN41 CPN B 10 -1.742 8.042 -4.101 1.00 0.51 H new HETATM 0 H8'2 CPN B 10 -2.475 12.252 -8.501 1.00 0.31 H new HETATM 0 H8'1 CPN B 10 -4.197 12.314 -8.182 1.00 0.31 H new HETATM 0 H5'2 CPN B 10 -4.838 12.560 -12.448 1.00 0.35 H new HETATM 0 H5'1 CPN B 10 -6.241 11.541 -12.195 1.00 0.35 H new HETATM 0 H3'2 CPN B 10 -7.010 11.456 -10.164 1.00 0.37 H new HETATM 0 H3'1 CPN B 10 -5.981 11.094 -8.792 1.00 0.37 H new HETATM 0 H2'2 CPN B 10 -5.275 13.593 -8.843 1.00 0.44 H new HETATM 0 H2'1 CPN B 10 -6.593 13.843 -9.971 1.00 0.44 H new HETATM 0 H1'1 CPN B 10 -7.297 14.250 -7.696 1.00 0.59 H new HETATM 0 H6 CPN B 10 -5.356 10.392 -7.307 1.00 0.38 H new HETATM 0 H5 CPN B 10 -5.041 9.261 -5.180 1.00 0.45 H new HETATM 321 C8' TPN B 11 -0.890 7.973 -10.445 1.00 0.42 C HETATM 322 C7' TPN B 11 -0.985 6.871 -11.509 1.00 0.50 C HETATM 323 O7' TPN B 11 -0.535 5.773 -11.250 1.00 0.53 O HETATM 324 C5' TPN B 11 -1.547 5.976 -13.712 1.00 0.68 C HETATM 325 C' TPN B 11 -0.323 5.057 -13.806 1.00 0.66 C HETATM 326 O1' TPN B 11 -0.430 3.924 -14.235 1.00 0.74 O HETATM 327 N4' TPN B 11 -1.532 7.080 -12.697 1.00 0.57 N HETATM 328 C3' TPN B 11 -2.142 8.398 -13.057 1.00 0.57 C HETATM 329 C2' TPN B 11 -3.663 8.246 -13.149 1.00 0.63 C HETATM 330 N1' TPN B 11 -4.311 9.331 -12.354 1.00 0.48 N HETATM 331 N1 TPN B 11 -1.155 7.537 -9.072 1.00 0.37 N HETATM 332 C6 TPN B 11 -2.427 7.237 -8.707 1.00 0.40 C HETATM 333 C2 TPN B 11 -0.076 7.242 -8.259 1.00 0.35 C HETATM 334 O2 TPN B 11 1.074 7.568 -8.543 1.00 0.43 O HETATM 335 N3 TPN B 11 -0.370 6.581 -7.088 1.00 0.36 N HETATM 336 C4 TPN B 11 -1.627 6.213 -6.654 1.00 0.41 C HETATM 337 O4 TPN B 11 -1.763 5.581 -5.610 1.00 0.48 O HETATM 338 C5 TPN B 11 -2.695 6.595 -7.552 1.00 0.43 C HETATM 339 C5M TPN B 11 -4.135 6.216 -7.221 1.00 0.55 C HETATM 0 HM53 TPN B 11 -4.747 7.117 -7.176 1.00 0.55 H new HETATM 0 HM52 TPN B 11 -4.523 5.552 -7.993 1.00 0.55 H new HETATM 0 HM51 TPN B 11 -4.165 5.708 -6.257 1.00 0.55 H new HETATM 0 H8'2 TPN B 11 0.108 8.409 -10.485 1.00 0.42 H new HETATM 0 H8'1 TPN B 11 -1.594 8.765 -10.700 1.00 0.42 H new HETATM 0 H5'2 TPN B 11 -1.699 6.428 -14.692 1.00 0.68 H new HETATM 0 H5'1 TPN B 11 -2.417 5.351 -13.510 1.00 0.68 H new HETATM 0 H3'2 TPN B 11 -1.885 9.147 -12.308 1.00 0.57 H new HETATM 0 H3'1 TPN B 11 -1.742 8.749 -14.009 1.00 0.57 H new HETATM 0 H2'2 TPN B 11 -3.984 8.299 -14.189 1.00 0.63 H new HETATM 0 H2'1 TPN B 11 -3.967 7.270 -12.771 1.00 0.63 H new HETATM 0 H1'3 TPN B 11 -5.325 9.236 -12.411 1.00 0.48 H new HETATM 0 HN3 TPN B 11 0.416 6.340 -6.484 1.00 0.36 H new HETATM 0 H6 TPN B 11 -3.250 7.521 -9.362 1.00 0.40 H new HETATM 354 C8' APN B 12 3.133 4.877 -9.552 1.00 0.47 C HETATM 355 C7' APN B 12 4.094 4.278 -10.582 1.00 0.50 C HETATM 356 O7' APN B 12 5.281 4.208 -10.328 1.00 0.56 O HETATM 357 C5' APN B 12 4.602 3.212 -12.713 1.00 0.55 C HETATM 358 C' APN B 12 5.309 1.925 -12.291 1.00 0.50 C HETATM 359 O1' APN B 12 6.316 1.544 -12.854 1.00 0.52 O HETATM 360 N4' APN B 12 3.649 3.837 -11.740 1.00 0.51 N HETATM 361 C3' APN B 12 2.200 3.953 -12.089 1.00 0.53 C HETATM 362 C2' APN B 12 2.051 4.643 -13.446 1.00 0.61 C HETATM 363 N1' APN B 12 0.839 5.515 -13.415 1.00 0.60 N HETATM 364 N9 APN B 12 2.170 3.990 -8.854 1.00 0.43 N HETATM 365 C8 APN B 12 0.818 3.857 -9.038 1.00 0.46 C HETATM 366 N7 APN B 12 0.201 3.182 -8.117 1.00 0.46 N HETATM 367 C5 APN B 12 1.229 2.803 -7.260 1.00 0.42 C HETATM 368 C6 APN B 12 1.248 2.050 -6.080 1.00 0.43 C HETATM 369 N6 APN B 12 0.144 1.560 -5.513 1.00 0.49 N HETATM 370 N1 APN B 12 2.438 1.864 -5.485 1.00 0.41 N HETATM 371 C2 APN B 12 3.546 2.383 -6.022 1.00 0.40 C HETATM 372 N3 APN B 12 3.636 3.107 -7.131 1.00 0.40 N HETATM 373 C4 APN B 12 2.430 3.279 -7.705 1.00 0.41 C HETATM 0 HN62 APN B 12 0.211 1.017 -4.652 1.00 0.49 H new HETATM 0 HN61 APN B 12 -0.767 1.729 -5.940 1.00 0.49 H new HETATM 0 H8'2 APN B 12 3.736 5.370 -8.789 1.00 0.47 H new HETATM 0 H8'1 APN B 12 2.557 5.654 -10.055 1.00 0.47 H new HETATM 0 H5'2 APN B 12 5.367 3.950 -12.954 1.00 0.55 H new HETATM 0 H5'1 APN B 12 4.055 3.007 -13.633 1.00 0.55 H new HETATM 0 H3'2 APN B 12 1.743 2.964 -12.121 1.00 0.53 H new HETATM 0 H3'1 APN B 12 1.675 4.522 -11.321 1.00 0.53 H new HETATM 0 H2'2 APN B 12 2.938 5.238 -13.666 1.00 0.61 H new HETATM 0 H2'1 APN B 12 1.961 3.900 -14.239 1.00 0.61 H new HETATM 0 H1'2 APN B 12 0.731 5.980 -14.316 1.00 0.60 H new HETATM 0 H8 APN B 12 0.299 4.287 -9.895 1.00 0.46 H new HETATM 0 H2 APN B 12 4.478 2.191 -5.491 1.00 0.40 H new HETATM 387 C8' TPN B 13 4.153 -0.523 -7.605 1.00 0.38 C HETATM 388 C7' TPN B 13 5.300 -1.484 -7.943 1.00 0.40 C HETATM 389 O7' TPN B 13 5.367 -2.565 -7.398 1.00 0.45 O HETATM 390 C5' TPN B 13 7.417 -2.012 -9.073 1.00 0.46 C HETATM 391 C' TPN B 13 8.089 -2.720 -7.886 1.00 0.43 C HETATM 392 O1' TPN B 13 9.018 -2.210 -7.284 1.00 0.46 O HETATM 393 N4' TPN B 13 6.242 -1.118 -8.801 1.00 0.41 N HETATM 394 C3' TPN B 13 6.152 0.195 -9.516 1.00 0.41 C HETATM 395 C2' TPN B 13 5.386 -0.022 -10.824 1.00 0.46 C HETATM 396 N1' TPN B 13 4.787 1.264 -11.293 1.00 0.47 N HETATM 397 N1 TPN B 13 2.870 -1.024 -7.078 1.00 0.38 N HETATM 398 C6 TPN B 13 1.720 -0.770 -7.757 1.00 0.38 C HETATM 399 C2 TPN B 13 2.853 -1.589 -5.814 1.00 0.37 C HETATM 400 O2 TPN B 13 3.870 -1.732 -5.142 1.00 0.40 O HETATM 401 N3 TPN B 13 1.605 -1.861 -5.296 1.00 0.38 N HETATM 402 C4 TPN B 13 0.394 -1.618 -5.911 1.00 0.39 C HETATM 403 O4 TPN B 13 -0.659 -1.883 -5.335 1.00 0.43 O HETATM 404 C5 TPN B 13 0.513 -1.026 -7.224 1.00 0.38 C HETATM 405 C5M TPN B 13 -0.736 -0.554 -7.963 1.00 0.41 C HETATM 0 HM53 TPN B 13 -0.708 0.531 -8.069 1.00 0.41 H new HETATM 0 HM52 TPN B 13 -0.770 -1.014 -8.951 1.00 0.41 H new HETATM 0 HM51 TPN B 13 -1.623 -0.841 -7.398 1.00 0.41 H new HETATM 0 H8'2 TPN B 13 4.539 0.191 -6.878 1.00 0.38 H new HETATM 0 H8'1 TPN B 13 3.928 0.037 -8.513 1.00 0.38 H new HETATM 0 H5'2 TPN B 13 8.178 -1.416 -9.577 1.00 0.46 H new HETATM 0 H5'1 TPN B 13 7.094 -2.779 -9.777 1.00 0.46 H new HETATM 0 H3'2 TPN B 13 5.642 0.931 -8.895 1.00 0.41 H new HETATM 0 H3'1 TPN B 13 7.149 0.586 -9.720 1.00 0.41 H new HETATM 0 H2'2 TPN B 13 6.058 -0.417 -11.586 1.00 0.46 H new HETATM 0 H2'1 TPN B 13 4.601 -0.764 -10.675 1.00 0.46 H new HETATM 0 H1'3 TPN B 13 4.280 1.106 -12.164 1.00 0.47 H new HETATM 0 HN3 TPN B 13 1.574 -2.283 -4.368 1.00 0.38 H new HETATM 0 H6 TPN B 13 1.778 -0.348 -8.760 1.00 0.38 H new HETATM 420 C8' GPN B 14 5.598 -4.082 -4.420 1.00 0.36 C HETATM 421 C7' GPN B 14 6.680 -4.828 -3.629 1.00 0.36 C HETATM 422 O7' GPN B 14 6.377 -5.537 -2.691 1.00 0.39 O HETATM 423 C5' GPN B 14 9.052 -5.273 -3.133 1.00 0.37 C HETATM 424 C' GPN B 14 8.762 -6.588 -2.411 1.00 0.35 C HETATM 425 O1' GPN B 14 8.647 -6.651 -1.201 1.00 0.38 O HETATM 426 N4' GPN B 14 7.953 -4.645 -3.948 1.00 0.36 N HETATM 427 C3' GPN B 14 8.304 -3.802 -5.135 1.00 0.38 C HETATM 428 C2' GPN B 14 8.240 -4.669 -6.404 1.00 0.41 C HETATM 429 N1' GPN B 14 7.627 -3.897 -7.538 1.00 0.42 N HETATM 430 N9 GPN B 14 4.244 -4.642 -4.580 1.00 0.35 N HETATM 431 C8 GPN B 14 3.471 -4.660 -5.702 1.00 0.36 C HETATM 432 N7 GPN B 14 2.260 -5.096 -5.533 1.00 0.35 N HETATM 433 C5 GPN B 14 2.213 -5.381 -4.169 1.00 0.33 C HETATM 434 C6 GPN B 14 1.141 -5.878 -3.381 1.00 0.34 C HETATM 435 O6 GPN B 14 -0.004 -6.150 -3.731 1.00 0.41 O HETATM 436 N1 GPN B 14 1.508 -6.017 -2.052 1.00 0.34 N HETATM 437 C2 GPN B 14 2.753 -5.721 -1.540 1.00 0.35 C HETATM 438 N2 GPN B 14 2.902 -5.854 -0.228 1.00 0.40 N HETATM 439 N3 GPN B 14 3.764 -5.260 -2.276 1.00 0.35 N HETATM 440 C4 GPN B 14 3.427 -5.111 -3.576 1.00 0.33 C HETATM 0 HN22 GPN B 14 3.802 -5.649 0.206 1.00 0.40 H new HETATM 0 HN21 GPN B 14 2.117 -6.161 0.346 1.00 0.40 H new HETATM 0 H8'2 GPN B 14 5.484 -3.102 -3.956 1.00 0.36 H new HETATM 0 H8'1 GPN B 14 5.994 -3.916 -5.422 1.00 0.36 H new HETATM 0 H5'2 GPN B 14 9.367 -4.546 -2.384 1.00 0.37 H new HETATM 0 H5'1 GPN B 14 9.903 -5.438 -3.794 1.00 0.37 H new HETATM 0 H3'2 GPN B 14 7.613 -2.963 -5.218 1.00 0.38 H new HETATM 0 H3'1 GPN B 14 9.303 -3.382 -5.016 1.00 0.38 H new HETATM 0 H2'2 GPN B 14 9.243 -4.996 -6.679 1.00 0.41 H new HETATM 0 H2'1 GPN B 14 7.654 -5.567 -6.209 1.00 0.41 H new HETATM 0 H1'1 GPN B 14 7.592 -4.485 -8.371 1.00 0.42 H new HETATM 0 HN1 GPN B 14 0.803 -6.365 -1.403 1.00 0.34 H new HETATM 0 H8 GPN B 14 3.843 -4.332 -6.672 1.00 0.36 H new HETATM 454 C8' TPN B 15 4.209 -8.810 -2.560 1.00 0.33 C HETATM 455 C7' TPN B 15 4.921 -10.111 -2.187 1.00 0.32 C HETATM 456 O7' TPN B 15 4.314 -11.164 -2.242 1.00 0.35 O HETATM 457 C5' TPN B 15 6.823 -11.356 -1.287 1.00 0.36 C HETATM 458 C' TPN B 15 6.046 -12.255 -0.307 1.00 0.33 C HETATM 459 O1' TPN B 15 6.500 -13.333 0.023 1.00 0.38 O HETATM 460 N4' TPN B 15 6.166 -10.090 -1.753 1.00 0.33 N HETATM 461 C3' TPN B 15 6.932 -8.806 -1.726 1.00 0.36 C HETATM 462 C2' TPN B 15 8.260 -8.968 -2.480 1.00 0.38 C HETATM 463 N1' TPN B 15 8.590 -7.663 -3.134 1.00 0.35 N HETATM 464 N1 TPN B 15 2.996 -8.905 -3.375 1.00 0.33 N HETATM 465 C6 TPN B 15 3.066 -8.695 -4.713 1.00 0.38 C HETATM 466 C2 TPN B 15 1.817 -9.266 -2.750 1.00 0.32 C HETATM 467 O2 TPN B 15 1.732 -9.429 -1.534 1.00 0.35 O HETATM 468 N3 TPN B 15 0.727 -9.412 -3.573 1.00 0.36 N HETATM 469 C4 TPN B 15 0.704 -9.230 -4.940 1.00 0.42 C HETATM 470 O4 TPN B 15 -0.332 -9.416 -5.573 1.00 0.52 O HETATM 471 C5 TPN B 15 1.983 -8.843 -5.503 1.00 0.42 C HETATM 472 C5M TPN B 15 2.108 -8.603 -7.005 1.00 0.54 C HETATM 0 HM53 TPN B 15 2.431 -7.578 -7.184 1.00 0.54 H new HETATM 0 HM52 TPN B 15 2.841 -9.293 -7.424 1.00 0.54 H new HETATM 0 HM51 TPN B 15 1.141 -8.767 -7.481 1.00 0.54 H new HETATM 0 H8'2 TPN B 15 3.952 -8.292 -1.636 1.00 0.33 H new HETATM 0 H8'1 TPN B 15 4.921 -8.179 -3.092 1.00 0.33 H new HETATM 0 H5'2 TPN B 15 7.769 -11.088 -0.816 1.00 0.36 H new HETATM 0 H5'1 TPN B 15 7.063 -11.951 -2.168 1.00 0.36 H new HETATM 0 H3'2 TPN B 15 6.341 -8.011 -2.181 1.00 0.36 H new HETATM 0 H3'1 TPN B 15 7.124 -8.510 -0.695 1.00 0.36 H new HETATM 0 H2'2 TPN B 15 9.054 -9.260 -1.793 1.00 0.38 H new HETATM 0 H2'1 TPN B 15 8.179 -9.758 -3.227 1.00 0.38 H new HETATM 0 H1'3 TPN B 15 9.471 -7.749 -3.641 1.00 0.35 H new HETATM 0 H1'1 TPN B 15 8.678 -6.938 -2.422 1.00 0.35 H new HETATM 0 HN3 TPN B 15 -0.151 -9.681 -3.130 1.00 0.36 H new HETATM 0 H6 TPN B 15 4.016 -8.401 -5.159 1.00 0.38 H new HETATM 487 C8' CPN B 16 1.587 -12.791 -0.871 1.00 0.39 C HETATM 488 C7' CPN B 16 1.387 -13.976 0.085 1.00 0.47 C HETATM 489 O7' CPN B 16 0.269 -14.398 0.306 1.00 0.59 O HETATM 490 C5' CPN B 16 2.217 -15.661 1.646 1.00 0.62 C HETATM 491 C' CPN B 16 2.041 -15.309 3.125 1.00 1.31 C HETATM 492 O1' CPN B 16 1.434 -16.054 3.869 1.00 1.65 O HETATM 493 N4' CPN B 16 2.426 -14.540 0.676 1.00 0.48 N HETATM 494 C3' CPN B 16 3.818 -14.071 0.389 1.00 0.41 C HETATM 495 C2' CPN B 16 4.096 -12.740 1.098 1.00 0.36 C HETATM 496 N1' CPN B 16 4.887 -11.859 0.178 1.00 0.33 N HETATM 497 N1 CPN B 16 0.868 -12.773 -2.165 1.00 0.42 N HETATM 498 C2 CPN B 16 -0.544 -12.810 -2.153 1.00 0.44 C HETATM 499 N3 CPN B 16 -1.202 -12.740 -3.349 1.00 0.47 N HETATM 500 C4 CPN B 16 -0.525 -12.621 -4.495 1.00 0.49 C HETATM 501 C5 CPN B 16 0.908 -12.567 -4.510 1.00 0.47 C HETATM 502 C6 CPN B 16 1.558 -12.660 -3.333 1.00 0.44 C HETATM 503 O2 CPN B 16 -1.179 -12.842 -1.089 1.00 0.49 O HETATM 504 N4 CPN B 16 -1.199 -12.593 -5.641 1.00 0.55 N HETATM 0 HN42 CPN B 16 -0.698 -12.503 -6.525 1.00 0.55 H new HETATM 0 HN41 CPN B 16 -2.217 -12.662 -5.636 1.00 0.55 H new HETATM 0 H8'2 CPN B 16 1.312 -11.885 -0.331 1.00 0.39 H new HETATM 0 H8'1 CPN B 16 2.653 -12.722 -1.088 1.00 0.39 H new HETATM 0 H5'2 CPN B 16 3.068 -16.337 1.563 1.00 0.62 H new HETATM 0 H5'1 CPN B 16 1.335 -16.217 1.328 1.00 0.62 H new HETATM 0 H3'2 CPN B 16 4.536 -14.822 0.719 1.00 0.41 H new HETATM 0 H3'1 CPN B 16 3.953 -13.952 -0.686 1.00 0.41 H new HETATM 0 H2'2 CPN B 16 3.159 -12.255 1.372 1.00 0.36 H new HETATM 0 H2'1 CPN B 16 4.648 -12.913 2.022 1.00 0.36 H new HETATM 0 H1'1 CPN B 16 5.078 -10.970 0.639 1.00 0.33 H new HETATM 0 H6 CPN B 16 2.648 -12.645 -3.316 1.00 0.44 H new HETATM 0 H5 CPN B 16 1.455 -12.454 -5.446 1.00 0.47 H new HETATM 518 N NH2 B 17 2.548 -16.134 4.000 1.00 1.96 N TER 521 NH2 B 17